2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

C14H15F3N4OS — CID 124569624

IUPAC2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)11-8-23-13(19-11)9-2-1-5-21(7-9)12(22)6-10-3-4-18-20-10/h3-4,8-9H,1-2,5-7H2,(H,18,20)/t9-/m1/s1
InChIKeyCHQKUUODEYJTKR-SECBINFHSA-N
MW344.36 g/mol
LogP2.83
Rot. Bonds3

About 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 124569624) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID124569624
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)11-8-23-13(19-11)9-2-1-5-21(7-9)12(22)6-10-3-4-18-20-10/h3-4,8-9H,1-2,5-7H2,(H,18,20)/t9-/m1/s1
InChIKeyCHQKUUODEYJTKR-SECBINFHSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 124569624) is 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is O=C(Cc1ccn[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is CHQKUUODEYJTKR-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)11-8-23-13(19-11)9-2-1-5-21(7-9)12(22)6-10-3-4-18-20-10/h3-4,8-9H,1-2,5-7H2,(H,18,20)/t9-/m1/s1.
What are the key properties of 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 344.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124569624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).